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摘要翻译：
从分子间弹性相互作用的角度出发，研究了低自旋(LS)和高自旋(HS)态间自旋交叉(SC)合作性质的起源。当每个分子的大小随其自旋态的变化而变化时，晶格畸变之间的弹性相互作用提供了自旋态的协同作用。我们建立了考虑自旋态不均匀性影响的弹性相互作用的分子内势和分子间势的SC简单模型，并应用基于Nos\'e-Hoover形式的恒温分子动力学。结果表明，随着分子间相互作用强度的增加，HS组分的温度依赖性由逐渐交叉转变为一级转变。
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英文标题：
《Simple Two-Dimensional Model for the Elastic Origin of Cooperativity
among Spin States of Spin-Crossover Complexes》
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作者：
Masamichi Nishino, Kamel Boukheddaden, Yusuk\'e Konishi, and Seiji
Miyashita
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最新提交年份：
2007
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分类信息：
一级分类：Physics 物理学
二级分类：Strongly Correlated Electrons 强关联电子
分类描述：Quantum magnetism, non-Fermi liquids, spin liquids, quantum criticality, charge density waves, metal-insulator transitions
量子磁学，非费米液体，自旋液体，量子临界性，电荷密度波，金属-绝缘体跃迁
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一级分类：Physics 物理学
二级分类：Statistical Mechanics 统计力学
分类描述：Phase transitions, thermodynamics, field theory, non-equilibrium phenomena, renormalization group and scaling, integrable models, turbulence
相变，热力学，场论，非平衡现象，重整化群和标度，可积模型，湍流
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英文摘要：
We study the origin of the cooperative nature of spin crossover (SC) between low spin (LS) and high spin (HS) states from the view point of elastic interactions among molecules. As the size of each molecule changes depending on its spin state, the elastic interaction among the lattice distortions provides the cooperative interaction of the spin states. We develop a simple model of SC with intra and intermolecular potentials which accounts for the elastic interaction including the effect of the inhomogeneity of the spin states, and apply constant temperature molecular dynamics based on the Nos\'e-Hoover formalism. We demonstrate that, with increase of the strength of the intermolecular interactions, the temperature dependence of the HS component changes from a gradual crossover to a first-order transition.
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PDF链接：
https://arxiv.org/pdf/706.4135
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